N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide

C18H21FN4O — CID 166603435

IUPACN-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C18H21FN4O/c1-22(18(24)12-4-5-12)14-3-2-8-23(10-14)17-15-9-13(19)6-7-16(15)20-11-21-17/h6-7,9,11-12,14H,2-5,8,10H2,1H3
InChIKeyPWJWEDLMYJJUGE-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.61
Rot. Bonds3

About N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide

N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide (PubChem CID 166603435) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
PubChem CID166603435
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C18H21FN4O/c1-22(18(24)12-4-5-12)14-3-2-8-23(10-14)17-15-9-13(19)6-7-16(15)20-11-21-17/h6-7,9,11-12,14H,2-5,8,10H2,1H3
InChIKeyPWJWEDLMYJJUGE-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166606135
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 166602913
N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166602904
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605983
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275711
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650857
N-methyl-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166605920
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide (CID 166603435) is N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)C1CCCN(c2ncnc3ccc(F)cc23)C1.
What is the InChIKey of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is PWJWEDLMYJJUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-22(18(24)12-4-5-12)14-3-2-8-23(10-14)17-15-9-13(19)6-7-16(15)20-11-21-17/h6-7,9,11-12,14H,2-5,8,10H2,1H3.
What are the key properties of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide?
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 166603435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).